Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 15/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.44 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12490895 | 0.85 | NPC1 (0.53) | PARP1CYP2D6CYP2B6PARP2 | |
| SCHEMBL27903450 | 0.74 | PARP1 (0.51) | PARP1CYP2D6CYP2B6PARP2HRH3 | |
| SCHEMBL30839562 | 0.74 | PARP1 (0.50) | PARP1CYP2D6CYP2B6PARP2 | |
| SCHEMBL13806171 | 0.71 | AURKA (0.44) | PARP1PARP2 | |
| SCHEMBL30666294 | 0.71 | KDM4E (0.39) | PARP1PARP2 | |
| SCHEMBL3682185 | 0.70 | NPC1 (0.62) | PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL4253332 | 0.70 | AURKA (0.44) | PARP1PARP2 | |
| SCHEMBL16372150 | 0.70 | PARP2 (0.47) | PARP1CYP2D6CYP2B6PARP2KDM2B | |
| SCHEMBL13816304 | 0.69 | AURKA (0.43) | PARP1PARP2 | |
| SCHEMBL4554366 | 0.69 | KDM2B (0.43) | PARP1KDM2BHRH3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103168027-A | Process for preparing cyclopropyl amide derivatives and intermediates related thereto | ASTRAZENECA AB | 2013-06-19 | — | — | CN | disclosed |
| CN-102869651-A | New crystalline form of a cyclopropyl benzamide derivative | ASTRAZENECA AB | 2013-01-09 | — | — | CN | disclosed |